5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide

C16H22BrNO3 — CID 10089583

IUPAC5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide
SMILESC=CCc1c(OC)c(Br)cc(C(=O)N(CC)CC)c1OC
InChIInChI=1S/C16H22BrNO3/c1-6-9-11-14(20-4)12(10-13(17)15(11)21-5)16(19)18(7-2)8-3/h6,10H,1,7-9H2,2-5H3
InChIKeyKXINRIPWDYYQTI-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.68
Rot. Bonds7

About 5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide

5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide (PubChem CID 10089583) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide.

Molecular Properties

Compound Name5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide
PubChem CID10089583
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Name5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide
SMILESC=CCc1c(OC)c(Br)cc(C(=O)N(CC)CC)c1OC
InChIInChI=1S/C16H22BrNO3/c1-6-9-11-14(20-4)12(10-13(17)15(11)21-5)16(19)18(7-2)8-3/h6,10H,1,7-9H2,2-5H3
InChIKeyKXINRIPWDYYQTI-UHFFFAOYSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene
CID 51033165
3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide
CID 39948024
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424
2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 60636105
N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide
CID 138964223
3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid
CID 158871695
N,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide
CID 10490068
5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide
CID 146171179
N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide
CID 23353687
2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
CID 60741091
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide?
The IUPAC name of 5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide (CID 10089583) is 5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide.
What is the SMILES notation for 5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide?
The canonical SMILES for 5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide is C=CCc1c(OC)c(Br)cc(C(=O)N(CC)CC)c1OC.
What is the InChIKey of 5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide?
The InChIKey is KXINRIPWDYYQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-6-9-11-14(20-4)12(10-13(17)15(11)21-5)16(19)18(7-2)8-3/h6,10H,1,7-9H2,2-5H3.
What are the key properties of 5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide?
5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide has a molecular weight of 356.26 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-diethyl-2,4-dimethoxy-3-prop-2-enylbenzamide is sourced from PubChem (CID 10089583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).